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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Vasopressin V1a receptor' and Ligand = 'BDBM50295770'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50295770
PNG
(2-(4-(6-methoxypyridin-3-yl)-5-methyl-4H-1,2,4-tri...)
Show SMILES COc1ccc(cn1)-n1c(C)nnc1-c1cnc(Oc2ccccc2)cn1
Show InChI InChI=1S/C19H16N6O2/c1-13-23-24-19(25(13)14-8-9-17(26-2)21-10-14)16-11-22-18(12-20-16)27-15-6-4-3-5-7-15/h3-12H,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.32E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned vasopressin V1A receptor by cell based beta-lactamase assay


Bioorg Med Chem Lett 19: 2634-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.160
BindingDB Entry DOI: 10.7270/Q2736QXW
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM50295770
PNG
(2-(4-(6-methoxypyridin-3-yl)-5-methyl-4H-1,2,4-tri...)
Show SMILES COc1ccc(cn1)-n1c(C)nnc1-c1cnc(Oc2ccccc2)cn1
Show InChI InChI=1S/C19H16N6O2/c1-13-23-24-19(25(13)14-8-9-17(26-2)21-10-14)16-11-22-18(12-20-16)27-15-6-4-3-5-7-15/h3-12H,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.32E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned vasopressin V1A receptor by cell based beta-lactamase assay


Bioorg Med Chem Lett 19: 2634-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.160
BindingDB Entry DOI: 10.7270/Q2736QXW
More data for this
Ligand-Target Pair